1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine

C20H25NO — CID 10541927

IUPAC1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
SMILESc1ccc(CCc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C20H25NO/c1-2-6-18(7-3-1)8-9-19-10-12-20(13-11-19)22-17-16-21-14-4-5-15-21/h1-3,6-7,10-13H,4-5,8-9,14-17H2
InChIKeyVCHAOIYZBSFPRP-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.95
Rot. Bonds7

About 1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine

1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine (PubChem CID 10541927) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
PubChem CID10541927
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
SMILESc1ccc(CCc2ccc(OCCN3CCCC3)cc2)cc1
InChIInChI=1S/C20H25NO/c1-2-6-18(7-3-1)8-9-19-10-12-20(13-11-19)22-17-16-21-14-4-5-15-21/h1-3,6-7,10-13H,4-5,8-9,14-17H2
InChIKeyVCHAOIYZBSFPRP-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine (CID 10541927) is 1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine is c1ccc(CCc2ccc(OCCN3CCCC3)cc2)cc1.
What is the InChIKey of 1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is VCHAOIYZBSFPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-6-18(7-3-1)8-9-19-10-12-20(13-11-19)22-17-16-21-14-4-5-15-21/h1-3,6-7,10-13H,4-5,8-9,14-17H2.
What are the key properties of 1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine?
1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 295.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 10541927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).